N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide

C16H26N2O — CID 55149876

IUPACN-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CCNC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H26N2O/c1-18(16(19)12-2-3-17-9-12)15-13-5-10-4-11(7-13)8-14(15)6-10/h10-15,17H,2-9H2,1H3
InChIKeyQXSHNMVBIBBIJY-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.88
Rot. Bonds2

About N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide

N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 55149876) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID55149876
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CCNC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H26N2O/c1-18(16(19)12-2-3-17-9-12)15-13-5-10-4-11(7-13)8-14(15)6-10/h10-15,17H,2-9H2,1H3
InChIKeyQXSHNMVBIBBIJY-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)-N-methylcyclohexanecarboxamide
CID 78858578
(3R)-N-cyclopropyl-N-methylpyrrolidine-3-carboxamide
CID 94915741
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-methyl-N-pyrrolidin-3-yladamantane-2-carboxamide;hydrochloride
CID 119553032
cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide
CID 177005866
(2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 75407094
N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 122148359
N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride
CID 119443349
(3S)-N-cyclopentyl-N-methylpiperidine-3-carboxamide
CID 81123260
N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide
CID 119803196
N-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119746215
(2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid
CID 164886400

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide (CID 55149876) is N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide is CN(C(=O)C1CCNC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is QXSHNMVBIBBIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(16(19)12-2-3-17-9-12)15-13-5-10-4-11(7-13)8-14(15)6-10/h10-15,17H,2-9H2,1H3.
What are the key properties of N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide?
N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55149876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).